Information card for entry 7202995

Structure parameters

• Formula: C38 H47 N5
• Calculated formula: C38 H47 N5
• SMILES: c1c(/C=C/c2ccc(cc2)N(CC)CC)nc(c2ccc(N(CC)CC)cc2)nc1/C=C/c1ccc(cc1)N(CC)CC
• Title of publication: Two-photon absorption of a series of V-shape molecules: the influence of acceptor's strength on two-photon absorption in a noncentrosymmetric D–π–A–π–D system
• Authors of publication: Liu, Zijun; Chen, Tao; Liu, Bo; Huang, Zhen-Li; Huang, Ting; Li, Suyue; Xu, Yuxi; Qin, Jingui
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 44
• Pages of publication: 4685
• a: 22.745 ± 0.003 Å
• b: 13.9148 ± 0.0018 Å
• c: 12.2573 ± 0.0016 Å
• α: 90°
• β: 119.369 ± 0.002°
• γ: 90°
• Cell volume: 3380.8 ± 0.8 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1235
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No